Tilmicosin phosphate salt - 10mM in DMSO , CAS No.137330-13-3

CAS: 137330-13-3 Cat. No.: T421414 Molecular Weight: 967.13 EC Number: 641-061-9 PubChem CID: 5282522

GRADE & PURITY 10mM in DMSO

Synonyms

Tilmicosinphosphate | TYLOSIN, 4 SUP(A)-O-DE(2,6-DIDEOXY-3-C-METHYL-alpha-L-RIBO-HEXOPYRANOSYL)-20-DEOXO-20-(3,5-DIMETHYL-1-PIPERIDINYL)-, (20(CIS))-, PHOSPHATE (1:1) (SALT) | MFCD06797805 | Tilmicosin phosphate | Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Tilmicosin phosphate is the phosphate salt of the semi-synthetic antibiotic derivative of desmycosin (tylosin B), a minor co-metabolite of tylosin, prepared by mixing the active tilmicosin with phosphoric acid to provide improved solubility and enhanced pharmacokinetics.

Specifications

Synonyms

Tilmicosinphosphate | TYLOSIN, 4 SUP(A)-O-DE(2, 6-DIDEOXY-3-C-METHYL-alpha-L-RIBO-HEXOPYRANOSYL)-20-DEOXO-20-(3, 5-DIMETHYL-1-PIPERIDINYL)-, (20(CIS))-, PHOSPHATE (1:1) (SALT) | MFCD06797805 | Tilmicosin phosphate | Tylosin, 4(sup A)-O-de(2, 6-dideoxy-3-C-me

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Pubchem Sid: 528772067
• Canonical Smiles: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC.OP(=O)(O)O
• IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione;phosphoric acid
• InChIKey: NESIVXZOSKKUDP-ARVJLQODSA-N
• INCHI: 1S/C46H80N2O13.H3O4P/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/b15-14+,25-19+;/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-;/m1./s1
• Isomeric SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O
• PubChem CID: 5282522
• Molecular Weight: 967.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Macrolides and analogues O-glycosyl compounds Piperidines Oxanes Organic phosphoric acids and derivatives Monosaccharides Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Cyclic ketones Lactones Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - O-glycosyl compound - Glycosyl compound - Monosaccharide - Organic phosphoric acid derivative - Oxane - Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Aldehyde - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 130-135° C
• Molecular Weight: 967.100 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 12
• Exact Mass: 966.543 Da
• Monoisotopic Mass: 966.543 Da
• Topological Polar Surface Area: 264.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 1470.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Guowen Qin, Huilin Song, Dan Wu, Yuqi Zhang, Peiqi Li, Kaidi Zhang, Yang Zheng, Shunli Ji.  (2024)  Design of a novel green bio-based organic–inorganic hybrid material for cost-effective and sustainable monitoring of antibiotic residues.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC04219G]